4-N-butyl-6-N-(2,6-difluorophenyl)-4-N,2-dimethylpyrimidine-4,6-diamine

C16H20F2N4 — CID 112876442

IUPAC4-N-butyl-6-N-(2,6-difluorophenyl)-4-N,2-dimethylpyrimidine-4,6-diamine
SMILESCCCCN(C)c1cc(Nc2c(F)cccc2F)nc(C)n1
InChIInChI=1S/C16H20F2N4/c1-4-5-9-22(3)15-10-14(19-11(2)20-15)21-16-12(17)7-6-8-13(16)18/h6-8,10H,4-5,9H2,1-3H3,(H,19,20,21)
InChIKeyUZRPKPVZWXNSQS-UHFFFAOYSA-N
MW306.36 g/mol
LogP4.04
Rot. Bonds6

About 4-N-butyl-6-N-(2,6-difluorophenyl)-4-N,2-dimethylpyrimidine-4,6-diamine

4-N-butyl-6-N-(2,6-difluorophenyl)-4-N,2-dimethylpyrimidine-4,6-diamine (PubChem CID 112876442) has the molecular formula C16H20F2N4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 4-N-butyl-6-N-(2,6-difluorophenyl)-4-N,2-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-butyl-6-N-(2,6-difluorophenyl)-4-N,2-dimethylpyrimidine-4,6-diamine
PubChem CID112876442
Molecular FormulaC16H20F2N4
Molecular Weight306.36 g/mol
Exact Mass306.17
IUPAC Name4-N-butyl-6-N-(2,6-difluorophenyl)-4-N,2-dimethylpyrimidine-4,6-diamine
SMILESCCCCN(C)c1cc(Nc2c(F)cccc2F)nc(C)n1
InChIInChI=1S/C16H20F2N4/c1-4-5-9-22(3)15-10-14(19-11(2)20-15)21-16-12(17)7-6-8-13(16)18/h6-8,10H,4-5,9H2,1-3H3,(H,19,20,21)
InChIKeyUZRPKPVZWXNSQS-UHFFFAOYSA-N
XLogP4.04
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-butyl-6-N-(2,6-difluorophenyl)-4-N,2-dimethylpyrimidine-4,6-diamine with MolForge

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Related Compounds

4-N-butyl-6-N-(5-chloro-2-methylphenyl)-4-N,2-dimethylpyrimidine-4,6-diamine
CID 112876377
4-N-butyl-4-N,2-dimethyl-6-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4,6-diamine
CID 112876409
4-N-butyl-2-N-(2,6-difluorophenyl)-4-N-methylpyrimidine-2,4-diamine
CID 112900671
4-N-butyl-4-N,2-dimethyl-6-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872081
4-N-butyl-6-N-[3-(dimethylamino)propyl]-4-N,2-dimethylpyrimidine-4,6-diamine
CID 112870573
4-N-(2,6-difluorophenyl)-6-N-(2,6-dimethylphenyl)-2-methylpyrimidine-4,6-diamine
CID 112877504
N-butyl-6-chloro-N,2-dimethylpyrimidin-4-amine
CID 62483143
6-[butyl(methyl)amino]-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109371833
4-N-butyl-4-N,2-dimethylpyrimidine-4,6-diamine
CID 80753579
6-(2,6-difluoroanilino)-N,N-diethyl-2-methylpyrimidine-4-carboxamide
CID 109373516
4-N-butyl-6-N-(2-fluorophenyl)-4-N-methylpyrimidine-4,6-diamine
CID 112864218
4-N-butyl-6-N-(2,6-dichlorophenyl)-4-N-methylpyrimidine-4,6-diamine
CID 112864278

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-6-N-(2,6-difluorophenyl)-4-N,2-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-butyl-6-N-(2,6-difluorophenyl)-4-N,2-dimethylpyrimidine-4,6-diamine (CID 112876442) is 4-N-butyl-6-N-(2,6-difluorophenyl)-4-N,2-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-butyl-6-N-(2,6-difluorophenyl)-4-N,2-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-butyl-6-N-(2,6-difluorophenyl)-4-N,2-dimethylpyrimidine-4,6-diamine is CCCCN(C)c1cc(Nc2c(F)cccc2F)nc(C)n1.
What is the InChIKey of 4-N-butyl-6-N-(2,6-difluorophenyl)-4-N,2-dimethylpyrimidine-4,6-diamine?
The InChIKey is UZRPKPVZWXNSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N4/c1-4-5-9-22(3)15-10-14(19-11(2)20-15)21-16-12(17)7-6-8-13(16)18/h6-8,10H,4-5,9H2,1-3H3,(H,19,20,21).
What are the key properties of 4-N-butyl-6-N-(2,6-difluorophenyl)-4-N,2-dimethylpyrimidine-4,6-diamine?
4-N-butyl-6-N-(2,6-difluorophenyl)-4-N,2-dimethylpyrimidine-4,6-diamine has a molecular weight of 306.36 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-6-N-(2,6-difluorophenyl)-4-N,2-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 112876442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).